Author results

1B06
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SUPEROXIDE DISMUTASE FROM SULFOLOBUS ACIDOCALDARIUS
Descriptor:PROTEIN (SUPEROXIDE DISMUTASE), FE (III) ION
Authors:Knapp, S., Kardinahl, S., Niklas, H., Tibbelin, G., Schafer, G., Ladenstein, R.
Deposit date:1998-11-16
Release date:1999-11-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Refined crystal structure of a superoxide dismutase from the hyperthermophilic archaeon Sulfolobus acidocaldarius at 2.2 A resolution.
J.Mol.Biol., 285, 1999
1B26
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GLUTAMATE DEHYDROGENASE
Descriptor:GLUTAMATE DEHYDROGENASE
Authors:Knapp, S., Devos, W.M., Rice, D., Ladenstein, R.
Deposit date:1998-12-04
Release date:1999-12-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of glutamate dehydrogenase from the hyperthermophilic eubacterium Thermotoga maritima at 3.0 A resolution.
J.Mol.Biol., 267, 1997
1XWS
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CRYSTAL STRUCTURE OF THE HUMAN PIM1 KINASE DOMAIN
Descriptor:Proto-oncogene serine/threonine-protein kinase Pim-1, SULFATE ION, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Authors:Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K.
Deposit date:2004-11-02
Release date:2004-11-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of human PIM1 kinase domain
To be Published
2BIK
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HUMAN PIM1 PHOSPHORYLATED ON SER261
Descriptor:PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, CHLORIDE ION
Authors:Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K.
Deposit date:2005-01-22
Release date:2005-02-07
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human Pim1 Phosphorylated on Ser261
To be Published
2BIL
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THE HUMAN PROTEIN KINASE PIM1 IN COMPLEX WITH ITS CONSENSUS PEPTIDE PIMTIDE
Descriptor:CONSENSUS PIM1 PEPTIDE PIMTIDE, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1, 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
Authors:Knapp, S., Debreczeni, J., Bullock, A., von Delft, F., Sundstrom, M., Arrowsmith, C., Edwards, A., Guo, K.
Deposit date:2005-01-22
Release date:2005-02-07
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:The Human Protein Kinase Pim1 in Complex with its Consensus Peptide Pimtide
To be Published
1B3B
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THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT N97D, G376K
Descriptor:PROTEIN (GLUTAMATE DEHYDROGENASE)
Authors:Knapp, S., Lebbink, J.H.G., Van Der Oost, J., Devos, W.M., Rice, D., Ladenstein, R.
Deposit date:1998-12-07
Release date:1999-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. I. Introduction of a six-residue ion-pair network in the hinge region.
J.Mol.Biol., 280, 1998
2TMG
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THERMOTOGA MARITIMA GLUTAMATE DEHYDROGENASE MUTANT S128R, T158E, N117R, S160E
Descriptor:PROTEIN (GLUTAMATE DEHYDROGENASE)
Authors:Knapp, S., Lebbink, J.H.G., van der Oost, J., de Vos, W.M., Rice, D., Ladenstein, R.
Deposit date:1998-12-04
Release date:1999-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Engineering activity and stability of Thermotoga maritima glutamate dehydrogenase. II: construction of a 16-residue ion-pair network at the subunit interface.
J.Mol.Biol., 289, 1999
4C57
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STRUCTURE OF GAK KINASE IN COMPLEX WITH A NANOBODY
Descriptor:Cyclin-G-associated kinase, NANOBODY, SULFATE ION, ...
Authors:Chaikuad, A., Keates, T., Krojer, T., Allerston, C.K., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of Cyclin G-Associated Kinase (Gak) Trapped in Different Conformations Using Nanobodies.
Biochem.J., 459, 2014
4C58
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STRUCTURE OF GAK KINASE IN COMPLEX WITH NANOBODY (NBGAK_4)
Descriptor:Cyclin-G-associated kinase, nanobody, 1,2-ETHANEDIOL, ...
Authors:Chaikuad, A., Keates, T., Allerston, C.K., Gileadi, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2019-02-06
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
4C59
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STRUCTURE OF GAK KINASE IN COMPLEX WITH NANOBODY (NBGAK_4)
Descriptor:Cyclin-G-associated kinase, NANOBODY, (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
Authors:Chaikuad, A., Keates, T., Allerston, C.K., Gileadi, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Muller-Knapp, S.
Deposit date:2013-09-10
Release date:2013-10-09
Last modified:2019-02-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of cyclin G-associated kinase (GAK) trapped in different conformations using nanobodies.
Biochem. J., 459, 2014
1BBX
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NON-SPECIFIC PROTEIN-DNA INTERACTIONS IN THE SSO7D-DNA COMPLEX, NMR, 1 STRUCTURE
Descriptor:DNA (5'-D(*CP*TP*AP*GP*CP*GP*CP*GP*CP*TP*AP*G)-3'), DNA-BINDING PROTEIN 7D
Authors:Agback, P., Baumann, H., Knapp, S., Ladenstein, R., Hard, T.
Deposit date:1998-04-24
Release date:1998-10-14
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Architecture of Nonspecific Protein-DNA Interactions in the Sso7D-DNA Complex
Nat.Struct.Biol., 5, 1998
2YAK
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STRUCTURE OF DEATH-ASSOCIATED PROTEIN KINASE 1 (DAPK1) IN COMPLEX WITH A RUTHENIUM OCTASPORINE LIGAND (OSV)
Descriptor:DEATH-ASSOCIATED PROTEIN KINASE 1, RUTHENIUM OCTASPORINE 4
Authors:Feng, L., Geisselbrecht, Y., Blanck, S., Wilbuer, A., Atilla-Gokcumen, G.E., Filippakopoulos, P., Kraeling, K., Celik, M.A., Harms, K., Maksimoska, J., Marmorstein, R., Frenking, G., Knapp, S., Essen, L.-O., Meggers, E.
Deposit date:2011-02-23
Release date:2011-04-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structurally Sophisticated Octahedral Metal Complexes as Highly Selective Protein Kinase Inhibitors.
J.Am.Chem.Soc., 133, 2011
1JAK
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STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE IN COMPLEX WITH (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINIUM CHLORIDE (IFG)
Descriptor:Beta-N-acetylhexosaminidase, SULFATE ION, CHLORIDE ION, ...
Authors:Mark, B.L., Vocadlo, D.J., Zhao, D., Knapp, S., Withers, S.G., James, M.N.
Deposit date:2001-05-30
Release date:2001-11-21
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Biochemical and structural assessment of the 1-N-azasugar GalNAc-isofagomine as a potent family 20 beta-N-acetylhexosaminidase inhibitor.
J.Biol.Chem., 276, 2001
3PUP
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STRUCTURE OF GLYCOGEN SYNTHASE KINASE 3 BETA (GSK3B) IN COMPLEX WITH A RUTHENIUM OCTASPORINE LIGAND (OS1)
Descriptor:Glycogen synthase kinase-3 beta, Ruthenium octasporine
Authors:Filippakopoulos, P., Kraling, K., Essen, L.O., Meggers, E., Knapp, S.
Deposit date:2010-12-06
Release date:2010-12-22
Last modified:2012-02-29
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structurally sophisticated octahedral metal complexes as highly selective protein kinase inhibitors.
J.Am.Chem.Soc., 133, 2011
1SSO
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SOLUTION STRUCTURE AND DNA-BINDING PROPERTIES OF A THERMOSTABLE PROTEIN FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS
Descriptor:SSO7D
Authors:Baumann, H., Knapp, S., Lundback, T., Ladenstein, R., Hard, T.
Deposit date:1995-03-31
Release date:1995-05-08
Last modified:2011-07-13
Method:SOLUTION NMR
Cite:Solution structure and DNA-binding properties of a thermostable protein from the archaeon Sulfolobus solfataricus.
Nat.Struct.Biol., 1, 1994
3QWM
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CRYSTAL STRUCTURE OF GEP100, THE PLEXTRIN HOMOLOGY DOMAIN OF IQ MOTIF AND SEC7 DOMAIN-CONTAINING PROTEIN 1 ISOFORM A
Descriptor:IQ motif and SEC7 domain-containing protein 1
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Feller, S., Janning, M., Sabe, H., Krojer, T., Chaikuad, A., Allerston, C., von Delft, F., Bountra, C., Arrowsmith, C.H., Weigelt, J., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-02-28
Release date:2011-04-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal Structure of GEP100, the plextrin homology domain of IQ motif and SEC7 domain-containing protein 1 isoform a
to be published
3TLP
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CRYSTAL STRUCTURE OF THE FOURTH BROMODOMAIN OF HUMAN POLY-BROMODOMAIN CONTAINING PROTEIN 1 (PB1)
Descriptor:Protein polybromo-1, NICKEL (II) ION
Authors:Filippakopoulos, P., Felletar, I., Picaud, S., Keates, T., Muniz, J., Krojer, T., Allerston, C.K., Latwiel, S., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2011-08-30
Release date:2011-09-28
Last modified:2012-04-11
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
4FR4
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CRYSTAL STRUCTURE OF HUMAN SERINE/THREONINE-PROTEIN KINASE 32A (YANK1)
Descriptor:Serine/threonine-protein kinase 32A, STAUROSPORINE, 1,2-ETHANEDIOL
Authors:Chaikuad, A., Elkins, J.M., Krojer, T., Mahajan, P., Goubin, S., Szklarz, M., Tumber, A., Wang, J., Savitsky, P., Shrestha, B., Daga, N., Picaud, S., Fedorov, O., Allerston, C.K., Latwiel, S.V.A., Vollmar, M., Canning, P., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2012-06-26
Release date:2012-07-18
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Crystal structure of human serine/threonine-protein kinase 32A (YANK1)
To be Published
4GPJ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A ISOXAZOLYLBENZIMIDAZOLE LIGAND
Descriptor:Bromodomain-containing protein 4, (1R)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-phenyl-2,3-dihydro-1H-inden-1-ol, 1,2-ETHANEDIOL, ...
Authors:Filippakopoulos, P., Picaud, S., Qi, J., Felletar, I., Heightman, T.D., Brennan, P., von Delft, F., Bountra, C., Arrowsmith, C.H., Edwards, A., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2012-08-21
Release date:2012-10-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The design and synthesis of 5- and 6-isoxazolylbenzimidazoles as selective inhibitors of the BET Bromodomains
TO BE PUBLISHED
4MEN
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N,5-dimethyl-N-(4-methylbenzyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEO
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 2-METHYL-QUINOLINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N-[3-(2-methyl-1-oxidoquinolin-4-yl)phenyl]acetamide, ...
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEP
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 3-CHLORO-PYRIDONE LIGAND
Descriptor:Bromodomain-containing protein 4, 3-chloro-5-[1-(3-methylpyridin-2-yl)-3-phenyl-1H-1,2,4-triazol-5-yl]pyridin-2(1H)-one
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MEQ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A 5-METHYL-TRIAZOLOPYRIMIDINE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 5-methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., Vidler, L.R., Brown, N., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Hoelder, S., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-08-27
Release date:2013-09-25
Last modified:2014-02-19
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Discovery of Novel Small-Molecule Inhibitors of BRD4 Using Structure-Based Virtual Screening.
J.Med.Chem., 56, 2013
4MR3
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-OH)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013
4MR4
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH A QUINAZOLINONE LIGAND (RVX-208)
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one
Authors:Filippakopoulos, P., Picaud, S., Felletar, I., Martin, S., Fedorov, O., von Delft, F., Arrowsmith, C.H., Edwards, A.M., Weigelt, J., Bountra, C., Knapp, S., Structural Genomics Consortium (SGC)
Deposit date:2013-09-17
Release date:2013-11-27
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:RVX-208, an inhibitor of BET transcriptional regulators with selectivity for the second bromodomain.
Proc.Natl.Acad.Sci.USA, 110, 2013